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1-methyl-4-[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]piperazinediium

View entire compound with spectra: 2 NMR

1-methyl-4-[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]piperazinediium
SpectraBase Compound ID EtKEj0pkukD
InChI InChI=1S/C19H21N3OS/c1-20-10-12-21(13-11-20)14-19(23)22-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)22/h2-9H,10-14H2,1H3/p+2
InChIKey WAKXCWMEVYLRRN-UHFFFAOYSA-P
Mol Weight 341.47 g/mol
Molecular Formula C19H23N3OS
Exact Mass 341.156184 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GqAXJVJrjFS
Name 1-Methyl-4-[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]piperazinediium
Comments Computed using HOSE algorithm
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Exact Mass 341.156183546 u
Formula C19H23N3OS
InChI InChI=1S/C19H21N3OS/c1-20-10-12-21(13-11-20)14-19(23)22-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)22/h2-9H,10-14H2,1H3/p+2
InChIKey WAKXCWMEVYLRRN-UHFFFAOYSA-P
Molecular Weight 341.473 g/mol
SMILES C=1C=CC=2N(C(C[NH+]3CC[NH+](CC3)C)=O)C3=C(C=CC=C3)SC2C1